N-[[5-(4-bromophenyl)furan-2-yl]methyl]-4-(methoxymethyl)-N-methylbenzamide

C21H20BrNO3 — CID 9107485

IUPACN-[[5-(4-bromophenyl)furan-2-yl]methyl]-4-(methoxymethyl)-N-methylbenzamide
SMILESCOCc1ccc(C(=O)N(C)Cc2ccc(-c3ccc(Br)cc3)o2)cc1
InChIInChI=1S/C21H20BrNO3/c1-23(21(24)17-5-3-15(4-6-17)14-25-2)13-19-11-12-20(26-19)16-7-9-18(22)10-8-16/h3-12H,13-14H2,1-2H3
InChIKeyGSFGFIAZSFOUES-UHFFFAOYSA-N
MW414.30 g/mol
LogP5.13
Rot. Bonds6

About N-[[5-(4-bromophenyl)furan-2-yl]methyl]-4-(methoxymethyl)-N-methylbenzamide

N-[[5-(4-bromophenyl)furan-2-yl]methyl]-4-(methoxymethyl)-N-methylbenzamide (PubChem CID 9107485) has the molecular formula C21H20BrNO3 and a molecular weight of 414.30 g/mol. Its IUPAC name is N-[[5-(4-bromophenyl)furan-2-yl]methyl]-4-(methoxymethyl)-N-methylbenzamide.

Molecular Properties

Compound NameN-[[5-(4-bromophenyl)furan-2-yl]methyl]-4-(methoxymethyl)-N-methylbenzamide
PubChem CID9107485
Molecular FormulaC21H20BrNO3
Molecular Weight414.30 g/mol
Exact Mass413.06
IUPAC NameN-[[5-(4-bromophenyl)furan-2-yl]methyl]-4-(methoxymethyl)-N-methylbenzamide
SMILESCOCc1ccc(C(=O)N(C)Cc2ccc(-c3ccc(Br)cc3)o2)cc1
InChIInChI=1S/C21H20BrNO3/c1-23(21(24)17-5-3-15(4-6-17)14-25-2)13-19-11-12-20(26-19)16-7-9-18(22)10-8-16/h3-12H,13-14H2,1-2H3
InChIKeyGSFGFIAZSFOUES-UHFFFAOYSA-N
XLogP5.13
TPSA42.68 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500414.30
LogP ≤ 55.13
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

N-[[5-(4-bromophenyl)furan-2-yl]methyl]-3-chloro-4-hydroxy-N-methylbenzamide
CID 18271169
N-[[5-(4-bromophenyl)furan-2-yl]methyl]-3-(difluoromethoxy)-N-methylbenzamide
CID 18229282
4-bromo-N-methyl-N-[[5-(2-methylcyclopropyl)furan-2-yl]methyl]benzamide
CID 60697653
2-[[5-(4-bromophenyl)furan-2-yl]methyl-methylamino]acetic acid
CID 43386061
N-[[5-(4-bromophenyl)furan-2-yl]methyl]-2-methoxyacetamide
CID 47140638
N-[[5-(4-bromophenyl)furan-2-yl]methyl]-N-methyl-2-thiophen-2-ylacetamide
CID 9107441
4-bromo-N-[(4-ethylphenyl)methyl]-N-methylbenzamide
CID 60630849
N-[[5-(4-bromophenyl)furan-2-yl]methyl]-2-(4-methoxyphenyl)acetamide
CID 24588403
1-[[5-(4-bromophenyl)furan-2-yl]methyl-methylamino]propan-2-ol
CID 62334158
N-[[5-(4-bromophenyl)furan-2-yl]methyl]-N-methyl-2-(2-oxo-1,3-thiazolidin-3-yl)acetamide
CID 9092219
N-(1,3-benzodioxol-5-ylmethyl)-4-(methoxymethyl)-N-methylbenzamide
CID 30510128
N-[(4-bromophenyl)methyl]-N-methyl-4-methylsulfonylbenzamide
CID 9416389

Frequently Asked Questions

What is the IUPAC name of N-[[5-(4-bromophenyl)furan-2-yl]methyl]-4-(methoxymethyl)-N-methylbenzamide?
The IUPAC name of N-[[5-(4-bromophenyl)furan-2-yl]methyl]-4-(methoxymethyl)-N-methylbenzamide (CID 9107485) is N-[[5-(4-bromophenyl)furan-2-yl]methyl]-4-(methoxymethyl)-N-methylbenzamide.
What is the SMILES notation for N-[[5-(4-bromophenyl)furan-2-yl]methyl]-4-(methoxymethyl)-N-methylbenzamide?
The canonical SMILES for N-[[5-(4-bromophenyl)furan-2-yl]methyl]-4-(methoxymethyl)-N-methylbenzamide is COCc1ccc(C(=O)N(C)Cc2ccc(-c3ccc(Br)cc3)o2)cc1.
What is the InChIKey of N-[[5-(4-bromophenyl)furan-2-yl]methyl]-4-(methoxymethyl)-N-methylbenzamide?
The InChIKey is GSFGFIAZSFOUES-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H20BrNO3/c1-23(21(24)17-5-3-15(4-6-17)14-25-2)13-19-11-12-20(26-19)16-7-9-18(22)10-8-16/h3-12H,13-14H2,1-2H3.
What are the key properties of N-[[5-(4-bromophenyl)furan-2-yl]methyl]-4-(methoxymethyl)-N-methylbenzamide?
N-[[5-(4-bromophenyl)furan-2-yl]methyl]-4-(methoxymethyl)-N-methylbenzamide has a molecular weight of 414.30 g/mol, XLogP of 5.13, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[5-(4-bromophenyl)furan-2-yl]methyl]-4-(methoxymethyl)-N-methylbenzamide is sourced from PubChem (CID 9107485), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).